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3-Benzylsulfamoyl-4-methoxybenzeneboronic acid(contains varying amounts of Anhydride) - 95%, high purity , CAS No.874219-51-9

COA

Grade & Purity:

≥95%

Cas Number: 874219-51-9
Molecular Weight: 321.2
PubChem CID: 44119816

In stock

Item Number

N187447

Grouped product items
SKU	Size	Availability	Price
N187447-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90
N187447-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,030.90
N187447-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,434.90

Basic Description

Synonyms	874219-51-9 \| (3-(N-Benzylsulfamoyl)-4-methoxyphenyl)boronic acid \| N-Benzyl 5-borono-2-methoxybenzenesulfonamide \| [3-(benzylsulfamoyl)-4-methoxyphenyl]boronic acid \| (3-(N-Benzylsulfamoyl)-4-methoxyphenyl)boronicacid \| 1310383-78-8 \| (3-(N-Benzylsulfamoyl)-4-methox
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Boronic acid - Boronic acid derivative - Ether - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[3-(benzylsulfamoyl)-4-methoxyphenyl]boronic acid
INCHI	InChI=1S/C14H16BNO5S/c1-21-13-8-7-12(15(17)18)9-14(13)22(19,20)16-10-11-5-3-2-4-6-11/h2-9,16-18H,10H2,1H3
InChIKey	QUPMMHPFKINRDE-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2)(O)O
Molecular Weight	321.2
Reaxy-Rn	26729956
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26729956&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	134-136°C
Molecular Weight	321.200 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	321.084 Da
Monoisotopic Mass	321.084 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	433.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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